SCHEMBL9400563

SCHEMBL9400563

CCOC(=N)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
LTA4H P09960 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
HSD17B10 Q99714 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9748729 0.79 LTA4H (0.45) MAPTHPGDTDP1TSHRLTA4H
SCHEMBL2665439 0.79 LTA4H (0.45) MAPTHPGDTDP1TSHRLTA4H
SCHEMBL1776615 0.78 MAPT (0.48) MAPTHPGDRAB9ANPC1CRHBP
Hydrochloric Acid SCHEMBL10547103 0.77 MAPT (0.47) MAPTHPGDRAB9ANPC1CRHBP
SCHEMBL3688619 0.77 LTA4H (0.43) MAPTHPGDTDP1TSHRLTA4H
SCHEMBL11567886 0.76 CA4 (0.46) MAPTHPGDRAB9ATDP1TSHR
SCHEMBL2469611 0.75 MAPT (0.47) MAPTHPGDRAB9ANPC1CRHBP
SCHEMBL37520 0.75 MAPT (0.56) MAPTHPGDRAB9ANPC1CRHBP
SCHEMBL31531963 0.74 MAPT (0.48) MAPTHPGDRAB9ANPC1CRHBP
SCHEMBL7899007 0.73 MEN1 (0.55) MAPTHPGDRAB9ANPC1CRHBP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5310849-A Amino and ammonium isocyanates, a process for their preparation, their use for the production of polymers containing ammonium groups and the polymers thus produced WOLFF WALSRODE AG (DE) 1994-05-10 US disclosed
US-4946990-A CHEMICAL INTERMEDIATE FOR THE PRODUCTION OF POLYURETHANES BAYER AKTIENGESELLSCHAFT (DE) 1990-08-07 US disclosed
US-4886902-A HEATING POLYISOCYANATE AND AMINE WITH SILYLATED HYDROXYL GROUP; REACTING ISOCYANATE-ACID HALIDE WITH PRODUCT BAYER AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed
US-4874857-A FIBER-REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1989-10-17 US disclosed
US-4870198-A SILYLATED ALCOHOL OR CARBOXYL GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1989-09-26 US disclosed
EP-0320235-A2 A method for producing aliphatic O-arylurethanes Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-06-14 EP disclosed
EP-0307756-A2 Process for the preparation of isocyanates and their use in the preparation of polyisocyanates containing ester groups, and some polyisocyanates containing these ester groups BAYER AG (DE) 1989-03-22 EP disclosed
US-4732711-A CORRESPONDING SULFONYLISOLYANATE AND THIOISOCYANATE INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1988-03-22 US disclosed
US-3939122-A Process for the preparation of compounds which contain hydantoin rings BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed