SCHEMBL4801606

SCHEMBL4801606

COc1ccc(N)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.60

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 1/20 0.47
ALDH1A1 P00352 6/20 0.60
TSHR P16473 1/20 0.60
NT5E P21589 1/20 0.60
TDP1 Q9NUW8 3/20 0.53
MAPK1 P28482 1/20 0.53
CYP3A4 P08684 2/20 0.52
ACHE P22303 2/20 0.50
PKM P14618 2/20 0.48
TEAD4 Q15561 1/20 0.48
BCHE P06276 1/20 0.48
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46

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
SCHEMBL11052026 0.93 ALDH1A1 (0.69) ALDH1A1TSHRNT5ETDP1MAPK1
SCHEMBL11782818 0.88 TSHR (0.78) ALDH1A1TSHRNT5ETDP1MAPK1
SCHEMBL8421197 0.88 TSHR (0.78) ALDH1A1TSHRNT5ETDP1MAPK1
SCHEMBL11821857 0.88 TSHR (0.78) ALDH1A1TSHRNT5ETDP1MAPK1
SCHEMBL286762 0.84 PKM (0.67) ALDH1A1PKMLMNAF2PRSS1
SCHEMBL23364954 0.83 ACHE (0.50) ALDH1A1TDP1CYP3A4ACHEPKM
SCHEMBL4399470 0.83 ACHE (0.50) ALDH1A1TDP1CYP3A4ACHEPKM
SCHEMBL3347434 0.83 ACHE (0.50) ALDH1A1TDP1CYP3A4ACHEPKM
SCHEMBL27224587 0.83 ACHE (0.50) ALDH1A1TDP1CYP3A4ACHEPKM
SCHEMBL27972154 0.83 ACHE (0.50) ALDH1A1TDP1CYP3A4ACHEPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7318351-B2 Pressure sensor HONEYWELL INTERNATIONAL INC. (US) 2008-01-15 US disclosed
WO-2007044307-A1 A PIEZORESISTIVE PRESSURE SENSOR COMPRISING A PLASTIC PACKAGE HONEYWELL INTERNATIONAL INC. (US) 2007-04-19 WO disclosed
US-20070074577-A1 Pressure sensor HONEYWELL INTERNATIONAL INC. 2007-04-05 US disclosed
US-3985772-A 3-Amidinocoumarin dyes BASF AKTIENGESELLSCHAFT (DT) 1976-10-12 US disclosed