SCHEMBL7789577

SCHEMBL7789577

O=C(NCc1ccccn1)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.47
TSHR P16473 3/20 0.47
CYP2D6 P10635 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 5/20 0.46
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
P2RX7 Q99572 1/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42

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
SCHEMBL7797833 0.89 ANPEP (0.45) MAPTALDH1A1HPGD
SCHEMBL7796582 0.86 ALDH1A1 (0.46) SMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL8432613 0.84 RECQL (0.44) CYP1A2SMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL7799010 0.83 POLB (0.37) SMN1; SMN2MAPTALDH1A1POLBNPC1
SCHEMBL7799091 0.82 NPC1 (0.40) NPC1RAB9A
SCHEMBL7796446 0.82 POLB (0.48) TSHRPOLBNPC1RAB9A
SCHEMBL7797839 0.80 NPC1 (0.44) NPC1RAB9ATDP1
SCHEMBL8175076 0.80 FPR2 (0.41)
SCHEMBL8178600 0.80 CTRB1 (0.42) MAPTALDH1A1POLBNPC1RAB9A
SCHEMBL7789521 0.80 CTRB1 (0.42) MAPTALDH1A1POLBNPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP disclosed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5994558-A 2-isoxazoline derivative and process for producing the same; and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
EP-0748801-A1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-18 EP disclosed