SCHEMBL22334847

SCHEMBL22334847

CC1CCN(c2nc(P)cs2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ TSHR P16473 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MITF O75030 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 2/20 0.37

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
SCHEMBL10136842 0.81 HRH3 (0.49) RAB9ASMN1; SMN2NPC1TSHRKDM4E
SCHEMBL20243679 0.79 ALDH1A1 (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL22334849 0.76 MAPT (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL2559694 0.76 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPC1TSHRKDM4E
SCHEMBL28814033 0.76 PTGER1 (0.51) RAB9ASMN1; SMN2NPC1TSHRKDM4E
SCHEMBL18674598 0.73 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL22334799 0.72 NOTUM (0.48) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL22334971 0.71 RAB9A (0.62) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL3060177 0.68 HPGD (0.51) RAB9ASMN1; SMN2NPC1TSHRKDM4E
SCHEMBL1308564 0.68 AR (0.53) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1

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
EP-3142638-B1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER OREAL (FR) 2020-08-12 — — EP disclosed
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