SCHEMBL8396602

SCHEMBL8396602

CCCCOc1ccccc1NC([NH])=S

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.54
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.47
NLRP1 Q9C000 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
PTPN1 P18031 2/20 0.45

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
SCHEMBL8395343 0.84 KMT2A (0.66) KMT2APOLBTSHRNPC1RAB9A
SCHEMBL10782336 0.81 KMT2A (0.58) KMT2APOLBTSHRNPC1RAB9A
SCHEMBL10396561 0.80 KMT2A (0.53) KMT2APOLBTSHRNPC1RAB9A
SCHEMBL6838359 0.79 KMT2A (0.68) KMT2APOLBTSHRNPC1RAB9A
SCHEMBL7956544 0.79 KMT2A (0.72) KMT2APOLBTSHRNPC1RAB9A
SCHEMBL8930340 0.79 KMT2A (0.59) KMT2APOLBTSHRNPC1RAB9A
SCHEMBL7956543 0.78 KMT2A (0.66) KMT2APOLBTSHRNPC1RAB9A
SCHEMBL10871089 0.78 CYP1A2 (0.58) KMT2APOLBTSHRNPC1RAB9A
SCHEMBL11802472 0.76 CYP1A2 (0.56) KMT2APOLBTSHRNPC1RAB9A
SCHEMBL16127143 0.76 ALDH1A1 (0.62) KMT2APOLBTSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed