SCHEMBL11269476

SCHEMBL11269476

CCOC(=O)C1CCCCN1N(C(C)=O)c1nc2cc3nc(N(C(C)=O)N4CCCCC4C(=O)OCC)sc3cc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ TSHR P16473 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ FKBP1A P62942 3/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL11258040 0.81 OPRM1 (0.37) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL11265320 0.74 HTR2C (0.41) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL11269478 0.73 EGFR (0.47) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL11256981 0.70 SMN1; SMN2 (0.41) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11260549 0.69 HTR2C (0.36) TSHRMEN1KMT2AMAPK1POLB
SCHEMBL11254903 0.67 NPC1 (0.43) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL27494737 0.66 TSHR (0.51) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL27479846 0.65 MAPT (0.48) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL11255635 0.64 HTR2C (0.41) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL11270188 0.63 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AOPRM1OPRD1

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-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
Send feedback