SCHEMBL6571273

SCHEMBL6571273

C[Si](C)(C)c1ccc(-c2cc(N)ccc2NCCO)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.33
NQO2 P16083 4/20 0.33
FCGR3B O75015 1/20 0.32
FCGR1A P12314 1/20 0.32
FCGR2A P12318 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
CYP1A2 P05177 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
PRSS1 P07477 2/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RECQL P46063 1/20 0.31
MAPT P10636 2/20 0.31
CYP2D6 P10635 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6571957 0.86 PRSS1 (0.38) FCGR3BFCGR1AFCGR2AALDH1A1KDM4E
SCHEMBL6573032 0.84 ALDH1A1 (0.38) CYP2C19NQO2ALDH1A1GAACYP1A2
SCHEMBL6571342 0.82 USP7 (0.40) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL6571430 0.82 PRSS1 (0.37) CYP2C19FCGR3BFCGR1AFCGR2AALDH1A1
SCHEMBL6572049 0.81 PDE3B (0.39) CYP1A2
SCHEMBL7085071 0.81 PRKCD (0.42) MAPTSMN1; SMN2JAK2TYK2
SCHEMBL6572117 0.81 FCGR3B (0.36) FCGR3BFCGR1AFCGR2AKDM4EGLA
SCHEMBL6571157 0.81 TDO2 (0.38) ALDH1A1PRSS1TSHRTDP1
SCHEMBL6571420 0.81 MKNK1 (0.37) CYP2C19ALDH1A1GAAKDM4EHPGD
SCHEMBL6570671 0.81 CYP1A2 (0.43) ALDH1A1CYP1A2GPR119KDM4EPRSS1

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-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed