SCHEMBL7948753

SCHEMBL7948753

CC(=O)N(Cc1ccccc1)c1ccc2c(c1)CCCN2C(=O)CCc1ccc(C(=N)N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
F2 P00734 9/20 0.43
F10 P00742 7/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
AVPR2 P30518 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
NR3C1 P04150 1/20 0.40
ITGB3 P05106 1/20 0.40

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
Hydrochloric Acid SCHEMBL6984887 0.99 ALDH1A1 (0.43) ALDH1A1MEN1HPGDKMT2AF2
Hydrochloric Acid SCHEMBL6985575 0.90 RXRA (0.48) ALDH1A1MEN1HPGDKMT2AF2
Hydrochloric Acid SCHEMBL6974881 0.89 F2 (0.52) ALDH1A1MEN1HPGDKMT2AF2
Hydrochloric Acid SCHEMBL6985844 0.89 LTB4R2 (0.45) F2F10AVPR2OXTRAVPR1A
Hydrochloric Acid SCHEMBL6984240 0.87 F10 (0.47) ALDH1A1MEN1HPGDKMT2AF10
Hydrochloric Acid SCHEMBL6984371 0.87 F2 (0.56) F2F10ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6983858 0.86 ALDH1A1 (0.42) ALDH1A1MEN1HPGDKMT2AF2
Hydrochloric Acid SCHEMBL6984865 0.86 F2 (0.41) ALDH1A1MEN1HPGDKMT2AF2
SCHEMBL6986006 0.86 NR3C1 (0.46) ALDH1A1MEN1HPGDKMT2ALMNA
SCHEMBL6984440 0.85 F2 (0.44) ALDH1A1F2F10TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed