SCHEMBL6911396

SCHEMBL6911396

CN(C)[Zr](Cc1ccccc1)(N(C)C)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
AOC3 Q16853 3/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
TP53 P04637 1/20 0.42
CALM1 P0DP23 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL5614697 0.80 TSHR (0.48) TSHRALDH1A1AOC3TAAR1CARM1
SCHEMBL6904854 0.80 TSHR (0.48) TSHRALDH1A1AOC3TAAR1CARM1
SCHEMBL6905115 0.76 TP53 (0.44) TSHRALDH1A1AOC3TAAR1CARM1
SCHEMBL6915490 0.73 SIGMAR1 (0.42) TSHRALDH1A1AOC3TAAR1CARM1
SCHEMBL6910031 0.70 KCNH2 (0.42) TP53SIGMAR1SLC6A2SLC6A4ADRA1A
SCHEMBL272369 0.69 CALM1 (0.50) TSHRALDH1A1TAAR1TP53CALM1
SCHEMBL28833326 0.67 CALM1 (0.47) TSHRALDH1A1TAAR1TP53CALM1
Water SCHEMBL9141797 0.67 CALM1 (0.47) TSHRALDH1A1TAAR1TP53CALM1
SCHEMBL6915634 0.67 TSHR (0.47) TSHRALDH1A1AOC3TAAR1TP53
SCHEMBL6913522 0.67 TP53 (0.44) TSHRALDH1A1AOC3TAAR1TP53

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
EP-0969010-B1 Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO LTD (JP) 2004-09-22 EP disclosed
US-6352953-B1 TRANSITION METAL COMPLEX HAVING 5-MEMBERED RING FORMED BY TRANSITION METAL COMPOUND OF GROUP IVB, TWO CARBONS, METAL OF GROUP IIIA AND HYDROGEN JAPAN POLYOLEFINS CO., LTD. (JP) 2002-03-05 US disclosed
US-6150544-A Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO., LTD. (JP) 2000-11-21 US disclosed
EP-0969010-A2 Transition metal compound and catalyst containing the same for polymerization of olefins Japan Polyolefins Co., Ltd. (JP) 2000-01-05 EP disclosed