SCHEMBL9203753

SCHEMBL9203753

NC(c1ccccc1)(c1ccccc1)c1ccncc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.70
KIF11 P52732 3/20 0.50
NOTUM Q6P988 1/20 0.46
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CHRM1 P11229 1/20 0.38
MAPK1 P28482 1/20 0.38
KCNA1 Q09470 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 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
Triphenylmethanamine SCHEMBL115149 0.84 KCNN4 (1.00) KCNN4KIF11TSHRALDH1A1KMT2A
SCHEMBL6000332 0.81 KIF11 (0.47) KCNN4KIF11NOTUMTSHRALDH1A1
Triphenylmethanamine SCHEMBL1508115 0.81 KCNN4 (0.93) KCNN4KIF11TSHRALDH1A1KMT2A
Triphenylmethanamine SCHEMBL1508398 0.81 KCNN4 (0.93) KCNN4KIF11TSHRALDH1A1KMT2A
Triphenylmethanamine SCHEMBL3317188 0.81 KCNN4 (0.93) KCNN4KIF11TSHRALDH1A1KMT2A
Triphenylmethanamine SCHEMBL7661114 0.81 KCNN4 (0.93) KCNN4KIF11TSHRALDH1A1KMT2A
Triphenylmethanamine SCHEMBL1508351 0.81 KCNN4 (0.93) KCNN4KIF11TSHRALDH1A1KMT2A
Triphenylmethanamine SCHEMBL31146599 0.81 KCNN4 (0.93) KCNN4KIF11TSHRALDH1A1KMT2A
Triphenylmethanamine SCHEMBL11023487 0.81 KCNN4 (0.93) KCNN4KIF11TSHRALDH1A1KMT2A
SCHEMBL4339462 0.79 NOTUM (0.50) KCNN4KIF11NOTUMTSHRALDH1A1

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-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US claimed
EP-0341694-B1 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KK (JP) 1995-09-06 EP disclosed
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US disclosed
EP-0341694-A2 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1989-11-15 EP disclosed