SCHEMBL10885173

SCHEMBL10885173

CCOC(=O)Nc1c(Br)cccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.57
NLRP3 Q96P20 8/20 0.55
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
GLA P06280 1/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MTNR1B P49286 1/20 0.48
NPC1 O15118 1/20 0.47
CRHBP P24387 1/20 0.47
RAB9A P51151 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL10779722 0.86 MAPK1 (0.57) F2RNLRP3LMNAMAPK1ALDH1A1
SCHEMBL29648979 0.85 NLRP3 (0.52) F2RNLRP3HSD17B10KDM4ELMNA
SCHEMBL22987464 0.85 NLRP3 (0.52) F2RNLRP3HSD17B10KDM4ELMNA
SCHEMBL10884104 0.83 RAB9A (0.56) KDM4ELMNAMAPTMAPK1ALDH1A1
SCHEMBL9359788 0.81 NLRP3 (0.78) NLRP3HSD17B10KDM4ELMNAMAPT
SCHEMBL10781336 0.81 SMN1; SMN2 (0.44) NLRP3HSD17B10LMNAMAPTMAPK1
SCHEMBL1188292 0.81 ALDH1A1 (0.62) F2RNLRP3HSD17B10KDM4ELMNA
SCHEMBL29209712 0.79 ALDH1A1 (0.68) F2RNLRP3HSD17B10KDM4ELMNA
SCHEMBL2090679 0.79 NLRP3 (0.79) NLRP3HSD17B10KDM4ELMNAMAPT
SCHEMBL10776408 0.78 NLRP3 (0.39) F2RNLRP3LMNAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0123412-B1 METHOD FOR MANUFACTURE OF DIPHENYLMETHANE DIISOCYANATES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-07-09 EP disclosed
US-4552974-A Process for producing diphenylmethane dicarbamates ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-11-12 US disclosed
US-4547322-A Method for manufacture of diphenylmethane diisocyanates ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-10-15 US disclosed
EP-0123412-A1 Method for manufacture of diphenylmethane diisocyanates Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-31 EP disclosed
EP-0110732-A2 Process for producing diphenylmethane dicarbamates Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-06-13 EP disclosed